SCHEMBL22652002

SCHEMBL22652002

CNC(=O)C(CC(N)=O)NCCN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
BMP1 P13497 2/20 0.35
ECE1 P42892 4/20 0.35
CPB2 Q96IY4 4/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP1 P03956 1/20 0.31
CPB1 P15086 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29670111 0.83 GGT1 (0.40) GGT1ECE1ITGB2ICAM1ITGAL
SCHEMBL18271972 0.81 BMP1 (0.37) BMP1ECE1MMP2MMP9MMP8
SCHEMBL4759293 0.80 GGT1 (0.43) GGT1ECE1CPB2CPB1ITGB2
SCHEMBL27650327 0.79 GGT1 (0.55) GGT1ECE1CPB2CPB1ITGB2
SCHEMBL27650325 0.79 GGT1 (0.55) GGT1ECE1CPB2CPB1ITGB2
SCHEMBL25556364 0.78 ECE1 (0.40) BMP1ECE1MMP2MMP9MMP8
SCHEMBL8229032 0.78 ECE1 (0.40) BMP1ECE1MMP2MMP9MMP8
SCHEMBL8237437 0.74 SIRT6 (0.48) GGT1CPB2MMP2MMP9MMP1
SCHEMBL13451427 0.73 GNPAT (0.41) BMP1ECE1MMP2MMP9MMP8
SCHEMBL26019602 0.73 GNPAT (0.41) BMP1ECE1MMP2MMP9MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352887-A1 HMGB1 ANTAGONIST THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200352887-A1 HMGB1 ANTAGONIST HMGB1, HMGB3, HMGB2 GGT1 1298/4885BMP1 689/4885ECE1 3999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.